4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine

C10H17N — CID 89073896

IUPAC4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine
SMILESCC1=C2CCCC2CCC1N
InChIInChI=1S/C10H17N/c1-7-9-4-2-3-8(9)5-6-10(7)11/h8,10H,2-6,11H2,1H3
InChIKeyONOPOOIIYVGVMF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.22
Rot. Bonds

About 4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine

4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine (PubChem CID 89073896) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine.

Molecular Properties

Compound Name4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine
PubChem CID89073896
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine
SMILESCC1=C2CCCC2CCC1N
InChIInChI=1S/C10H17N/c1-7-9-4-2-3-8(9)5-6-10(7)11/h8,10H,2-6,11H2,1H3
InChIKeyONOPOOIIYVGVMF-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine?
The IUPAC name of 4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine (CID 89073896) is 4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine.
What is the SMILES notation for 4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine?
The canonical SMILES for 4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine is CC1=C2CCCC2CCC1N.
What is the InChIKey of 4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine?
The InChIKey is ONOPOOIIYVGVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-9-4-2-3-8(9)5-6-10(7)11/h8,10H,2-6,11H2,1H3.
What are the key properties of 4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine?
4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine has a molecular weight of 151.25 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine is sourced from PubChem (CID 89073896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).